Information card for entry 7155089

Structure parameters

• Common name: triazolyl
• Chemical name: triazolyl
• Formula: C18 H19 N3 O4
• Calculated formula: C18 H19 N3 O4
• SMILES: O(c1ccc2c(c1)ccc(c1nnn([C@@H]3O[C@@H](CO)[C@H](O)C3)c1)c2)C
• Title of publication: Donor/acceptor chromophores-decorated triazolyl unnatural nucleosides: synthesis, photophysical properties and study of interaction with BSA.
• Authors of publication: Bag, Subhendu Sekhar; Talukdar, Sangita; Das, Suman Kalyan; Pradhan, Manoj Kumar; Mukherjee, Soumen
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 22
• Pages of publication: 5088 - 5108
• a: 5.808 ± 0.0007 Å
• b: 29.856 ± 0.004 Å
• c: 9.5397 ± 0.0011 Å
• α: 90°
• β: 90.185 ± 0.007°
• γ: 90°
• Cell volume: 1654.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No